Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.8737   -0.6739   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6587   -0.6564    0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9641    0.5403    0.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6090    0.6426    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546    1.9044    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223    2.0692   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427    0.9735   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073   -0.2978   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2553   -0.4293    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5255   -1.4687   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4471   -1.5663   -0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.1851   -0.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -1.5449    0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668    2.7960    0.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7305    3.0637   -0.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2091    1.1533   -0.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1653   -1.4134    0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228   -1.2028   -0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141   -2.2816   -0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8156   -1.7930    0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers